A1BX3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C42 | sing | 1.37Å | 1.34Å | |
| O28 | C35 | sing | 1.49Å | 1.44Å | |
| O28 | C36 | sing | 1.44Å | 1.46Å | |
| C42 | N3 | doub | 1.31Å | 1.33Å | |
| C42 | N5 | sing | 1.36Å | 1.37Å | |
| N3 | C41 | sing | 1.34Å | 1.35Å | |
| C37 | C36 | sing | 1.53Å | 1.50Å | |
| C35 | C34 | sing | 1.56Å | 1.53Å | |
| C35 | C38 | sing | 1.57Å | 1.54Å | |
| N5 | C43 | sing | 1.35Å | 1.39Å | |
| C36 | C33 | sing | 1.56Å | 1.54Å | |
| C41 | N1 | sing | 1.37Å | 1.36Å | Aromatic |
| C41 | C40 | doub | 1.40Å | 1.38Å | Aromatic |
| C34 | N1 | sing | 1.46Å | 1.46Å | |
| C34 | O27 | sing | 1.44Å | 1.42Å | |
| C38 | C33 | sing | 1.57Å | 1.54Å | |
| C38 | O29 | sing | 1.43Å | 1.41Å | |
| O31 | C46 | doub | 1.22Å | 1.23Å | |
| O32 | C47 | doub | 1.22Å | 1.22Å | |
| N7 | C47 | sing | 1.35Å | 1.37Å | |
| N7 | C46 | sing | 1.35Å | 1.38Å | |
| N1 | C39 | sing | 1.36Å | 1.37Å | Aromatic |
| C33 | O27 | sing | 1.46Å | 1.45Å | |
| C33 | C32 | sing | 1.53Å | 1.52Å | |
| C43 | C40 | sing | 1.41Å | 1.41Å | |
| C43 | O30 | doub | 1.22Å | 1.24Å | |
| C40 | N2 | sing | 1.35Å | 1.39Å | Aromatic |
| C47 | N6 | sing | 1.35Å | 1.38Å | |
| C46 | C45 | sing | 1.42Å | 1.43Å | |
| C32 | O26 | sing | 1.43Å | 1.45Å | |
| C39 | N2 | doub | 1.30Å | 1.31Å | Aromatic |
| N6 | C44 | sing | 1.37Å | 1.38Å | |
| N6 | C27 | sing | 1.47Å | 1.50Å | |
| C45 | C44 | doub | 1.35Å | 1.34Å | |
| O23 | C28 | sing | 1.46Å | 1.44Å | |
| O23 | C29 | sing | 1.44Å | 1.45Å | |
| O26 | P6 | sing | 1.61Å | 1.60Å | |
| O33 | C50 | doub | 1.22Å | 1.23Å | |
| C28 | C27 | sing | 1.59Å | 1.52Å | |
| C28 | C31 | sing | 1.57Å | 1.53Å | |
| C27 | O22 | sing | 1.44Å | 1.44Å | |
| C50 | N9 | sing | 1.35Å | 1.38Å | |
| C50 | C49 | sing | 1.42Å | 1.43Å | |
| C29 | C30 | sing | 1.53Å | 1.51Å | |
| C29 | C26 | sing | 1.56Å | 1.53Å | |
| C31 | O24 | sing | 1.43Å | 1.43Å | |
| C31 | C26 | sing | 1.57Å | 1.54Å | |
| P6 | O25 | doub | 1.48Å | 1.49Å | |
| P6 | O24 | sing | 1.61Å | 1.60Å | |
| P6 | S6 | sing | 2.12Å | 1.96Å | |
| N9 | C51 | sing | 1.35Å | 1.37Å | |
| O22 | C26 | sing | 1.46Å | 1.47Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C49 | C48 | doub | 1.35Å | 1.34Å | |
| C51 | O34 | doub | 1.22Å | 1.22Å | |
| C51 | N8 | sing | 1.35Å | 1.39Å | |
| C48 | N8 | sing | 1.37Å | 1.38Å | |
| C25 | O21 | sing | 1.43Å | 1.45Å | |
| N8 | C21 | sing | 1.47Å | 1.50Å | |
| O21 | P5 | sing | 1.61Å | 1.61Å | |
| C21 | O17 | sing | 1.44Å | 1.41Å | |
| C21 | C22 | sing | 1.55Å | 1.53Å | |
| O17 | C20 | sing | 1.44Å | 1.46Å | |
| C24 | C20 | sing | 1.54Å | 1.53Å | |
| C24 | C22 | sing | 1.55Å | 1.53Å | |
| C24 | O19 | sing | 1.43Å | 1.43Å | |
| C20 | C19 | sing | 1.53Å | 1.51Å | |
| P5 | O20 | doub | 1.48Å | 1.49Å | |
| P5 | O19 | sing | 1.61Å | 1.61Å | |
| P5 | S5 | sing | 2.12Å | 1.96Å | |
| C22 | O18 | sing | 1.43Å | 1.42Å | |
| O18 | C23 | sing | 1.43Å | 1.42Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H1 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C28 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H40 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| C31 | H41 | sing | 1.09Å | 1.10Å | |
| C32 | H43 | sing | 1.09Å | 1.10Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| C34 | H44 | sing | 1.09Å | 1.10Å | |
| C35 | H45 | sing | 1.09Å | 1.10Å | |
| C36 | H46 | sing | 1.09Å | 1.10Å | |
| C37 | H47 | sing | 1.09Å | 1.10Å | |
| C37 | H48 | sing | 1.09Å | 1.10Å | |
| C37 | H49 | sing | 1.09Å | 1.10Å | |
| C38 | H50 | sing | 1.09Å | 1.10Å | |
| C39 | H52 | sing | 1.08Å | 1.08Å | |
| C44 | H56 | sing | 1.08Å | 1.08Å | |
| C45 | H57 | sing | 1.08Å | 1.08Å | |
| C48 | H59 | sing | 1.08Å | 1.08Å | |
| C49 | H60 | sing | 1.08Å | 1.08Å | |
| N4 | H53 | sing | 0.97Å | 1.00Å | |
| N4 | H54 | sing | 0.97Å | 1.00Å | |
| N5 | H55 | sing | 0.97Å | 1.00Å | |
| N7 | H58 | sing | 0.97Å | 1.00Å | |
| N9 | H61 | sing | 0.97Å | 1.00Å | |
| O29 | H51 | sing | 0.97Å | 0.95Å | |
| S5 | H2 | sing | 1.34Å | 1.30Å | |
| S6 | H3 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C42 | N3 | 119.7° | 119.1° |
| N4 | C42 | N5 | 117.2° | 119.0° |
| C42 | N4 | H53 | 120.0° | 120.0° |
| C42 | N4 | H54 | 120.0° | 120.0° |
| C35 | O28 | C36 | 104.9° | 106.7° |
| O28 | C35 | C34 | 106.5° | 103.1° |
| O28 | C35 | C38 | 101.2° | 101.2° |
| O28 | C35 | H45 | 115.9° | 117.6° |
| O28 | C36 | C37 | 107.9° | 110.3° |
| O28 | C36 | C33 | 102.6° | 105.3° |
| O28 | C36 | H46 | 110.0° | 110.3° |
| N3 | C42 | N5 | 123.1° | 121.9° |
| C42 | N3 | C41 | 113.6° | 121.2° |
| C42 | N5 | C43 | 124.9° | 120.3° |
| C42 | N5 | H55 | 117.6° | 119.9° |
| N3 | C41 | N1 | 127.1° | 134.2° |
| N3 | C41 | C40 | 126.3° | 119.7° |
| C37 | C36 | C33 | 117.8° | 110.2° |
| C37 | C36 | H46 | 109.4° | 110.2° |
| C36 | C37 | H47 | 109.5° | 109.5° |
| C36 | C37 | H48 | 109.5° | 109.5° |
| C36 | C37 | H49 | 109.5° | 109.5° |
| C34 | C35 | C38 | 103.5° | 99.1° |
| C35 | C34 | N1 | 118.1° | 110.3° |
| C35 | C34 | O27 | 102.9° | 105.3° |
| C35 | C34 | H44 | 108.9° | 110.3° |
| C34 | C35 | H45 | 114.2° | 116.4° |
| C35 | C38 | C33 | 89.9° | 93.2° |
| C35 | C38 | O29 | 116.0° | 112.5° |
| C38 | C35 | H45 | 114.0° | 116.7° |
| C35 | C38 | H50 | 110.5° | 112.5° |
| N5 | C43 | C40 | 111.5° | 118.4° |
| N5 | C43 | O30 | 120.8° | 120.8° |
| C43 | N5 | H55 | 117.5° | 119.8° |
| C36 | C33 | C38 | 101.7° | 99.9° |
| C36 | C33 | O27 | 107.0° | 103.8° |
| C36 | C33 | C32 | 118.7° | 116.5° |
| C33 | C36 | H46 | 108.9° | 110.3° |
| N1 | C41 | C40 | 106.5° | 106.1° |
| C41 | N1 | C34 | 128.8° | 126.2° |
| C41 | N1 | C39 | 106.1° | 107.5° |
| C41 | C40 | C43 | 120.5° | 118.6° |
| C41 | C40 | N2 | 110.0° | 107.3° |
| N1 | C34 | O27 | 106.5° | 110.3° |
| C34 | N1 | C39 | 125.1° | 126.3° |
| N1 | C34 | H44 | 109.8° | 110.3° |
| C34 | O27 | C33 | 105.7° | 107.0° |
| O27 | C34 | H44 | 110.4° | 110.2° |
| C33 | C38 | O29 | 115.4° | 113.3° |
| C38 | C33 | O27 | 101.0° | 101.1° |
| C38 | C33 | C32 | 120.3° | 116.7° |
| C33 | C38 | H50 | 110.5° | 111.8° |
| O29 | C38 | H50 | 112.5° | 112.2° |
| C38 | O29 | H51 | 109.5° | 114.0° |
| O31 | C46 | N7 | 119.3° | 120.3° |
| O31 | C46 | C45 | 125.9° | 120.3° |
| O32 | C47 | N7 | 119.8° | 119.5° |
| O32 | C47 | N6 | 123.0° | 119.6° |
| C47 | N7 | C46 | 125.3° | 120.3° |
| N7 | C47 | N6 | 117.2° | 120.9° |
| C47 | N7 | H58 | 117.3° | 119.9° |
| N7 | C46 | C45 | 114.8° | 119.4° |
| C46 | N7 | H58 | 117.4° | 119.8° |
| N1 | C39 | N2 | 112.9° | 109.8° |
| N1 | C39 | H52 | 123.6° | 125.1° |
| O27 | C33 | C32 | 106.2° | 116.3° |
| C33 | C32 | O26 | 105.5° | 109.5° |
| C33 | C32 | H43 | 110.5° | 109.4° |
| C33 | C32 | H42 | 110.5° | 109.5° |
| C40 | C43 | O30 | 127.7° | 120.8° |
| C43 | C40 | N2 | 129.5° | 134.1° |
| C40 | N2 | C39 | 104.5° | 109.3° |
| C47 | N6 | C44 | 119.8° | 120.6° |
| C47 | N6 | C27 | 125.5° | 119.7° |
| C46 | C45 | C44 | 120.7° | 119.1° |
| C46 | C45 | H57 | 119.6° | 120.5° |
| C32 | O26 | P6 | 121.0° | 123.0° |
| O26 | C32 | H43 | 110.4° | 109.5° |
| O26 | C32 | H42 | 110.4° | 109.5° |
| N2 | C39 | H52 | 123.5° | 125.1° |
| C44 | N6 | C27 | 114.5° | 119.7° |
| N6 | C44 | C45 | 122.1° | 119.7° |
| N6 | C44 | H56 | 119.0° | 120.2° |
| N6 | C27 | C28 | 117.7° | 109.7° |
| N6 | C27 | O22 | 110.7° | 110.3° |
| N6 | C27 | H35 | 108.6° | 110.3° |
| C45 | C44 | H56 | 119.0° | 120.2° |
| C44 | C45 | H57 | 119.7° | 120.4° |
| C28 | O23 | C29 | 106.5° | 106.9° |
| O23 | C28 | C27 | 110.0° | 103.9° |
| O23 | C28 | C31 | 104.7° | 101.2° |
| O23 | C28 | H36 | 115.1° | 117.5° |
| O23 | C29 | C30 | 108.1° | 110.3° |
| O23 | C29 | C26 | 101.5° | 105.3° |
| O23 | C29 | H37 | 109.9° | 110.3° |
| O26 | P6 | O25 | 109.2° | 109.5° |
| O26 | P6 | O24 | 102.6° | 109.5° |
| O26 | P6 | S6 | 109.2° | 109.5° |
| O33 | C50 | N9 | 119.6° | 120.3° |
| O33 | C50 | C49 | 126.0° | 120.3° |
| C27 | C28 | C31 | 98.3° | 98.6° |
| C28 | C27 | O22 | 101.7° | 105.0° |
| C28 | C27 | H35 | 108.4° | 111.2° |
| C27 | C28 | H36 | 113.7° | 116.5° |
| C28 | C31 | O24 | 117.2° | 112.5° |
| C28 | C31 | C26 | 90.0° | 93.1° |
| C31 | C28 | H36 | 113.5° | 116.4° |
| C28 | C31 | H41 | 111.6° | 112.6° |
| C27 | O22 | C26 | 105.8° | 106.9° |
| O22 | C27 | H35 | 109.4° | 110.2° |
| N9 | C50 | C49 | 114.4° | 119.4° |
| C50 | N9 | C51 | 127.6° | 120.3° |
| C50 | N9 | H61 | 116.2° | 119.9° |
| C50 | C49 | C48 | 119.6° | 119.1° |
| C50 | C49 | H60 | 120.2° | 120.4° |
| C30 | C29 | C26 | 119.1° | 110.3° |
| C30 | C29 | H37 | 109.0° | 110.2° |
| C29 | C30 | H39 | 109.5° | 109.5° |
| C29 | C30 | H40 | 109.4° | 109.5° |
| C29 | C30 | H38 | 109.5° | 109.4° |
| C29 | C26 | C31 | 101.3° | 99.0° |
| C29 | C26 | O22 | 106.1° | 103.9° |
| C29 | C26 | C25 | 116.3° | 116.5° |
| C26 | C29 | H37 | 108.8° | 110.3° |
| O24 | C31 | C26 | 111.3° | 112.5° |
| C31 | O24 | P6 | 117.6° | 123.0° |
| O24 | C31 | H41 | 113.2° | 112.1° |
| C31 | C26 | O22 | 102.5° | 102.0° |
| C31 | C26 | C25 | 118.8° | 116.6° |
| C26 | C31 | H41 | 111.5° | 112.6° |
| O25 | P6 | O24 | 109.5° | 109.4° |
| O25 | P6 | S6 | 117.3° | 109.5° |
| O24 | P6 | S6 | 108.0° | 109.5° |
| P6 | S6 | H3 | 102.0° | 103.0° |
| N9 | C51 | O34 | 120.4° | 119.5° |
| N9 | C51 | N8 | 115.1° | 120.9° |
| C51 | N9 | H61 | 116.2° | 119.9° |
| O22 | C26 | C25 | 110.3° | 116.3° |
| C26 | C25 | O21 | 112.5° | 109.4° |
| C26 | C25 | H34 | 108.7° | 109.5° |
| C26 | C25 | H33 | 108.7° | 109.5° |
| C49 | C48 | N8 | 123.4° | 119.7° |
| C49 | C48 | H59 | 118.3° | 120.2° |
| C48 | C49 | H60 | 120.2° | 120.5° |
| O34 | C51 | N8 | 124.5° | 119.5° |
| C51 | N8 | C48 | 119.9° | 120.6° |
| C51 | N8 | C21 | 118.9° | 119.7° |
| C48 | N8 | C21 | 121.3° | 119.7° |
| N8 | C48 | H59 | 118.3° | 120.1° |
| C25 | O21 | P5 | 118.1° | 123.0° |
| O21 | C25 | H34 | 108.7° | 109.5° |
| O21 | C25 | H33 | 108.7° | 109.4° |
| N8 | C21 | O17 | 110.0° | 110.4° |
| N8 | C21 | C22 | 117.7° | 110.2° |
| N8 | C21 | H27 | 109.2° | 110.4° |
| O21 | P5 | O20 | 107.4° | 109.5° |
| O21 | P5 | O19 | 108.9° | 109.5° |
| O21 | P5 | S5 | 108.1° | 109.5° |
| O17 | C21 | C22 | 100.4° | 104.8° |
| C21 | O17 | C20 | 108.7° | 105.3° |
| O17 | C21 | H27 | 110.4° | 110.4° |
| C21 | C22 | C24 | 97.0° | 104.0° |
| C21 | C22 | O18 | 118.2° | 110.6° |
| C22 | C21 | H27 | 108.7° | 110.4° |
| C21 | C22 | H28 | 107.9° | 110.5° |
| O17 | C20 | C24 | 104.4° | 104.9° |
| O17 | C20 | C19 | 109.2° | 110.4° |
| O17 | C20 | H26 | 109.7° | 110.4° |
| C20 | C24 | C22 | 98.6° | 104.0° |
| C20 | C24 | O19 | 115.6° | 110.5° |
| C24 | C20 | C19 | 115.8° | 110.3° |
| C24 | C20 | H26 | 108.7° | 110.4° |
| C20 | C24 | H32 | 109.5° | 110.5° |
| C22 | C24 | O19 | 111.9° | 110.5° |
| C24 | C22 | O18 | 115.7° | 110.5° |
| C24 | C22 | H28 | 107.9° | 110.6° |
| C22 | C24 | H32 | 109.6° | 110.4° |
| C24 | O19 | P5 | 119.7° | 123.0° |
| O19 | C24 | H32 | 111.0° | 110.6° |
| C20 | C19 | H24 | 109.5° | 109.5° |
| C20 | C19 | H1 | 109.5° | 109.5° |
| C20 | C19 | H25 | 109.5° | 109.4° |
| C19 | C20 | H26 | 109.0° | 110.3° |
| O20 | P5 | O19 | 108.6° | 109.5° |
| O20 | P5 | S5 | 117.2° | 109.5° |
| O19 | P5 | S5 | 106.3° | 109.5° |
| P5 | S5 | H2 | 102.0° | 103.0° |
| C22 | O18 | C23 | 113.3° | 114.0° |
| O18 | C22 | H28 | 109.3° | 110.4° |
| O18 | C23 | H30 | 109.5° | 109.5° |
| O18 | C23 | H31 | 109.5° | 109.5° |
| O18 | C23 | H29 | 109.5° | 109.4° |
| H24 | C19 | H1 | 109.5° | 109.5° |
| H24 | C19 | H25 | 109.5° | 109.5° |
| H1 | C19 | H25 | 109.4° | 109.5° |
| H30 | C23 | H31 | 109.5° | 109.5° |
| H30 | C23 | H29 | 109.5° | 109.5° |
| H31 | C23 | H29 | 109.4° | 109.5° |
| H34 | C25 | H33 | 109.5° | 109.5° |
| H39 | C30 | H40 | 109.4° | 109.5° |
| H39 | C30 | H38 | 109.5° | 109.5° |
| H40 | C30 | H38 | 109.5° | 109.4° |
| H43 | C32 | H42 | 109.4° | 109.4° |
| H47 | C37 | H48 | 109.5° | 109.5° |
| H47 | C37 | H49 | 109.5° | 109.5° |
| H48 | C37 | H49 | 109.4° | 109.4° |
| H53 | N4 | H54 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C42 | N3 | N5 | 179.6° | 179.4° |
| N4 | C42 | N3 | C41 | 179.8° | 180.0° |
| N4 | C42 | N5 | C43 | 179.8° | 179.7° |
| C42 | N4 | H53 | H54 | 180.0° | 180.0° |
| N4 | C42 | N5 | H55 | 0.2° | 0.6° |
| C35 | O28 | C36 | C37 | 133.7° | 121.8° |
| O28 | C35 | C34 | C38 | 106.3° | 103.8° |
| O28 | C35 | C34 | H45 | 129.2° | 130.3° |
| O28 | C35 | C38 | H45 | 125.1° | 128.9° |
| C35 | O28 | C36 | C33 | 8.6° | 2.8° |
| O28 | C35 | C34 | N1 | 164.2° | 169.4° |
| O28 | C35 | C34 | O27 | 78.9° | 71.6° |
| O28 | C35 | C38 | C33 | 59.7° | 54.3° |
| O28 | C35 | C38 | O29 | 178.2° | 171.1° |
| O28 | C35 | C34 | H44 | 38.2° | 47.3° |
| C35 | O28 | C36 | H46 | 107.1° | 116.2° |
| O28 | C35 | C38 | H50 | 52.2° | 60.9° |
| O28 | C36 | C37 | C33 | 115.4° | 115.9° |
| O28 | C36 | C37 | H46 | 119.6° | 122.0° |
| C36 | O28 | C35 | C34 | 63.1° | 65.0° |
| C36 | O28 | C35 | C38 | 44.8° | 37.2° |
| O28 | C36 | C33 | H46 | 116.5° | 119.0° |
| O28 | C36 | C33 | C38 | 30.3° | 32.3° |
| O28 | C36 | C33 | O27 | 75.2° | 71.8° |
| O28 | C36 | C33 | C32 | 164.8° | 158.9° |
| C36 | O28 | C35 | H45 | 168.7° | 165.4° |
| O28 | C36 | C37 | H47 | 180.0° | 176.0° |
| O28 | C36 | C37 | H48 | 60.0° | 64.1° |
| O28 | C36 | C37 | H49 | 60.0° | 55.9° |
| N3 | C42 | N5 | C43 | 0.2° | 1.0° |
| C42 | N3 | C41 | N1 | 179.2° | 180.0° |
| C42 | N3 | C41 | C40 | 0.1° | 0.2° |
| N3 | C42 | N4 | H53 | 0.0° | 0.0° |
| N3 | C42 | N4 | H54 | 180.0° | 180.0° |
| N3 | C42 | N5 | H55 | 179.8° | 180.0° |
| N5 | C42 | N3 | C41 | 0.2° | 0.6° |
| C42 | N5 | C43 | H55 | 180.0° | 179.1° |
| C42 | N5 | C43 | C40 | 0.1° | 0.9° |
| C42 | N5 | C43 | O30 | 180.0° | 179.2° |
| N5 | C42 | N4 | H53 | 179.7° | 179.4° |
| N5 | C42 | N4 | H54 | 0.4° | 0.6° |
| N3 | C41 | N1 | C40 | 179.2° | 179.8° |
| N3 | C41 | N1 | C34 | 2.2° | 0.1° |
| N3 | C41 | N1 | C39 | 179.6° | 180.0° |
| N3 | C41 | C40 | C43 | 0.1° | 0.2° |
| N3 | C41 | C40 | N2 | 179.9° | 179.7° |
| C37 | C36 | C33 | H46 | 125.2° | 122.0° |
| C37 | C36 | C33 | C38 | 88.0° | 86.7° |
| C37 | C36 | C33 | O27 | 166.5° | 169.1° |
| C37 | C36 | C33 | C32 | 46.5° | 39.9° |
| C36 | C37 | H47 | H48 | 120.0° | 120.0° |
| C36 | C37 | H47 | H49 | 120.0° | 120.0° |
| C36 | C37 | H48 | H49 | 120.0° | 120.0° |
| C34 | C35 | C38 | H45 | 124.6° | 125.8° |
| C35 | C34 | N1 | C41 | 52.8° | 87.6° |
| C35 | C34 | N1 | O27 | 115.0° | 115.9° |
| C35 | C34 | N1 | H44 | 125.6° | 122.1° |
| C35 | C34 | O27 | H44 | 116.1° | 119.0° |
| C34 | C35 | C38 | C33 | 50.5° | 51.1° |
| C34 | C35 | C38 | O29 | 68.0° | 65.7° |
| C35 | C34 | N1 | C39 | 130.2° | 92.3° |
| C35 | C34 | O27 | C33 | 10.8° | 3.3° |
| C34 | C35 | C38 | H50 | 162.4° | 166.3° |
| C35 | C38 | C33 | C36 | 52.9° | 51.3° |
| C38 | C35 | C34 | N1 | 89.5° | 86.8° |
| C38 | C35 | C34 | O27 | 27.4° | 32.2° |
| C35 | C38 | C33 | O29 | 119.0° | 116.2° |
| C35 | C38 | C33 | H50 | 111.9° | 115.8° |
| C35 | C38 | O29 | H50 | 128.6° | 128.2° |
| C35 | C38 | C33 | O27 | 57.2° | 55.0° |
| C35 | C38 | C33 | C32 | 173.5° | 177.7° |
| C38 | C35 | C34 | H44 | 144.5° | 151.1° |
| C35 | C38 | O29 | H51 | 180.0° | 61.5° |
| N5 | C43 | C40 | C41 | 0.1° | 0.5° |
| N5 | C43 | C40 | O30 | 179.9° | 180.0° |
| N5 | C43 | C40 | N2 | 180.0° | 179.9° |
| C36 | C33 | O27 | C34 | 60.6° | 65.4° |
| C36 | C33 | C38 | O27 | 110.1° | 106.3° |
| C36 | C33 | C38 | C32 | 133.6° | 126.5° |
| C36 | C33 | C38 | O29 | 171.9° | 167.5° |
| C36 | C33 | O27 | C32 | 127.7° | 129.3° |
| C36 | C33 | C32 | O26 | 98.0° | 56.9° |
| C36 | C33 | C32 | H43 | 21.3° | 63.1° |
| C36 | C33 | C32 | H42 | 142.6° | 176.9° |
| C33 | C36 | C37 | H47 | 64.6° | 60.0° |
| C33 | C36 | C37 | H48 | 175.4° | 180.0° |
| C33 | C36 | C37 | H49 | 55.4° | 60.0° |
| C36 | C33 | C38 | H50 | 59.0° | 64.6° |
| C41 | N1 | C34 | C39 | 177.0° | 179.9° |
| C41 | N1 | C34 | O27 | 167.8° | 156.5° |
| N1 | C41 | C40 | C43 | 179.3° | 180.0° |
| N1 | C41 | C40 | N2 | 0.7° | 0.4° |
| C41 | N1 | C39 | N2 | 1.3° | 0.1° |
| C41 | N1 | C34 | H44 | 72.7° | 34.5° |
| C41 | N1 | C39 | H52 | 178.6° | 179.7° |
| C40 | C41 | N1 | C34 | 178.6° | 179.7° |
| C40 | C41 | N1 | C39 | 1.2° | 0.2° |
| C41 | C40 | C43 | N2 | 179.9° | 179.5° |
| C41 | C40 | C43 | O30 | 180.0° | 179.6° |
| C41 | C40 | N2 | C39 | 0.1° | 0.5° |
| N1 | C34 | O27 | H44 | 119.1° | 122.0° |
| N1 | C34 | O27 | C33 | 135.7° | 122.3° |
| C34 | N1 | C39 | N2 | 178.9° | 180.0° |
| N1 | C34 | C35 | H45 | 35.0° | 39.2° |
| C34 | N1 | C39 | H52 | 1.1° | 0.3° |
| C34 | O27 | C33 | C38 | 45.4° | 37.8° |
| O27 | C34 | N1 | C39 | 15.2° | 23.6° |
| C34 | O27 | C33 | C32 | 171.7° | 165.3° |
| O27 | C34 | C35 | H45 | 151.9° | 158.1° |
| C33 | C38 | O29 | H50 | 128.1° | 127.8° |
| C38 | C33 | O27 | C32 | 126.3° | 127.5° |
| C38 | C33 | C32 | O26 | 135.9° | 174.6° |
| C38 | C33 | C32 | H43 | 104.7° | 54.6° |
| C38 | C33 | C32 | H42 | 16.5° | 65.3° |
| C33 | C38 | C35 | H45 | 175.1° | 176.9° |
| C38 | C33 | C36 | H46 | 146.7° | 151.3° |
| C33 | C38 | O29 | H51 | 76.7° | 165.6° |
| O29 | C38 | C33 | O27 | 61.8° | 61.2° |
| O29 | C38 | C33 | C32 | 54.5° | 66.1° |
| O29 | C38 | C35 | H45 | 56.6° | 60.1° |
| O31 | C46 | N7 | C47 | 179.7° | 179.7° |
| O31 | C46 | N7 | C45 | 180.0° | 180.0° |
| O31 | C46 | C45 | C44 | 179.7° | 180.0° |
| O31 | C46 | C45 | H57 | 0.3° | 0.0° |
| O31 | C46 | N7 | H58 | 0.3° | 0.0° |
| O32 | C47 | N7 | N6 | 179.5° | 180.0° |
| O32 | C47 | N7 | C46 | 179.8° | 179.7° |
| O32 | C47 | N6 | C44 | 178.8° | 180.0° |
| O32 | C47 | N6 | C27 | 2.8° | 0.1° |
| O32 | C47 | N7 | H58 | 0.2° | 0.0° |
| C47 | N7 | C46 | H58 | 180.0° | 179.8° |
| C47 | N7 | C46 | C45 | 0.2° | 0.2° |
| N7 | C47 | N6 | C44 | 1.7° | 0.1° |
| N7 | C47 | N6 | C27 | 177.8° | 180.0° |
| C46 | N7 | C47 | N6 | 0.7° | 0.2° |
| N7 | C46 | C45 | C44 | 0.2° | 0.0° |
| N7 | C46 | C45 | H57 | 179.8° | 180.0° |
| N1 | C39 | N2 | C40 | 0.9° | 0.3° |
| N1 | C39 | N2 | H52 | 180.0° | 179.7° |
| C39 | N1 | C34 | H44 | 104.2° | 145.6° |
| O27 | C33 | C32 | O26 | 22.4° | 66.0° |
| O27 | C33 | C32 | H43 | 141.7° | 174.0° |
| O27 | C33 | C32 | H42 | 97.0° | 54.0° |
| C33 | O27 | C34 | H44 | 105.3° | 115.7° |
| O27 | C33 | C36 | H46 | 41.3° | 47.2° |
| O27 | C33 | C38 | H50 | 169.1° | 170.9° |
| C33 | C32 | O26 | H43 | 119.4° | 120.0° |
| C33 | C32 | O26 | H42 | 119.4° | 120.1° |
| C33 | C32 | O26 | P6 | 150.9° | 180.0° |
| C33 | C32 | H43 | H42 | 121.8° | 120.0° |
| C32 | C33 | C36 | H46 | 78.8° | 82.0° |
| C32 | C33 | C38 | H50 | 74.6° | 61.9° |
| C43 | C40 | N2 | C39 | 179.9° | 180.0° |
| C40 | C43 | N5 | H55 | 179.9° | 179.9° |
| O30 | C43 | C40 | N2 | 0.1° | 0.1° |
| O30 | C43 | N5 | H55 | 0.0° | 0.1° |
| C40 | N2 | C39 | H52 | 179.1° | 180.0° |
| C47 | N6 | C44 | C27 | 176.5° | 179.9° |
| C47 | N6 | C44 | C45 | 1.8° | 0.3° |
| C47 | N6 | C27 | C28 | 24.2° | 116.7° |
| C47 | N6 | C27 | O22 | 140.5° | 1.5° |
| C47 | N6 | C27 | H35 | 99.4° | 120.5° |
| C47 | N6 | C44 | H56 | 178.3° | 180.0° |
| N6 | C47 | N7 | H58 | 179.3° | 180.0° |
| C46 | C45 | C44 | N6 | 0.8° | 0.3° |
| C46 | C45 | C44 | H57 | 180.0° | 180.0° |
| C46 | C45 | C44 | H56 | 179.2° | 180.0° |
| C45 | C46 | N7 | H58 | 179.8° | 180.0° |
| C32 | O26 | P6 | O25 | 73.4° | 55.0° |
| C32 | O26 | P6 | O24 | 170.5° | 175.0° |
| C32 | O26 | P6 | S6 | 56.0° | 65.0° |
| O26 | C32 | H43 | H42 | 121.8° | 120.0° |
| N6 | C44 | C45 | H56 | 180.0° | 179.7° |
| C44 | N6 | C27 | C28 | 159.6° | 63.4° |
| C44 | N6 | C27 | O22 | 43.2° | 178.6° |
| C44 | N6 | C27 | H35 | 76.9° | 59.4° |
| N6 | C44 | C45 | H57 | 179.2° | 179.7° |
| C27 | N6 | C44 | C45 | 178.3° | 179.8° |
| N6 | C27 | C28 | O23 | 59.2° | 47.4° |
| N6 | C27 | C28 | O22 | 121.1° | 118.5° |
| N6 | C27 | C28 | H35 | 123.7° | 122.3° |
| N6 | C27 | C28 | C31 | 168.2° | 151.2° |
| N6 | C27 | O22 | H35 | 119.6° | 122.0° |
| N6 | C27 | O22 | C26 | 137.3° | 115.7° |
| N6 | C27 | C28 | H36 | 71.6° | 83.4° |
| C27 | N6 | C44 | H56 | 1.8° | 0.1° |
| O23 | C28 | C27 | C31 | 109.0° | 103.8° |
| O23 | C28 | C27 | H36 | 130.8° | 130.8° |
| O23 | C28 | C31 | H36 | 126.3° | 128.5° |
| O23 | C28 | C27 | O22 | 62.0° | 71.1° |
| C28 | O23 | C29 | C30 | 120.4° | 122.3° |
| C28 | O23 | C29 | C26 | 5.7° | 3.3° |
| O23 | C28 | C31 | O24 | 167.1° | 171.1° |
| O23 | C28 | C31 | C26 | 53.1° | 55.1° |
| O23 | C28 | C27 | H35 | 177.1° | 169.7° |
| C28 | O23 | C29 | H37 | 120.8° | 115.7° |
| O23 | C28 | C31 | H41 | 60.1° | 61.0° |
| C29 | O23 | C28 | C27 | 73.0° | 64.1° |
| C29 | O23 | C28 | C31 | 31.6° | 37.8° |
| O23 | C29 | C30 | C26 | 114.9° | 115.9° |
| O23 | C29 | C30 | H37 | 119.4° | 122.0° |
| O23 | C29 | C26 | H37 | 115.9° | 119.0° |
| O23 | C29 | C26 | C31 | 40.6° | 32.2° |
| O23 | C29 | C26 | O22 | 66.1° | 72.7° |
| O23 | C29 | C26 | C25 | 170.9° | 158.1° |
| C29 | O23 | C28 | H36 | 156.9° | 165.6° |
| O23 | C29 | C30 | H39 | 180.0° | 175.9° |
| O23 | C29 | C30 | H40 | 60.0° | 64.1° |
| O23 | C29 | C30 | H38 | 60.0° | 55.9° |
| O26 | P6 | O24 | C31 | 46.4° | 175.0° |
| O26 | P6 | O25 | O24 | 111.6° | 120.0° |
| O26 | P6 | O25 | S6 | 124.9° | 120.0° |
| O26 | P6 | O24 | S6 | 115.3° | 120.0° |
| P6 | O26 | C32 | H43 | 89.7° | 60.0° |
| P6 | O26 | C32 | H42 | 31.5° | 60.0° |
| O26 | P6 | S6 | H3 | 124.9° | 60.0° |
| O33 | C50 | N9 | C49 | 179.6° | 180.0° |
| O33 | C50 | N9 | C51 | 179.7° | 179.8° |
| O33 | C50 | C49 | C48 | 179.6° | 180.0° |
| O33 | C50 | C49 | H60 | 0.4° | 0.0° |
| O33 | C50 | N9 | H61 | 0.3° | 0.0° |
| C27 | C28 | C31 | H36 | 120.4° | 125.4° |
| C28 | C27 | O22 | H35 | 114.4° | 119.9° |
| C27 | C28 | C31 | O24 | 53.9° | 65.0° |
| C27 | C28 | C31 | C26 | 60.2° | 51.0° |
| C28 | C27 | O22 | C26 | 11.4° | 2.4° |
| C27 | C28 | C31 | H41 | 173.4° | 167.1° |
| C31 | C28 | C27 | O22 | 47.0° | 32.8° |
| C28 | C31 | C26 | C29 | 55.3° | 51.1° |
| C28 | C31 | O24 | C26 | 101.5° | 103.7° |
| C28 | C31 | O24 | H41 | 132.1° | 128.1° |
| C28 | C31 | C26 | H41 | 113.3° | 116.1° |
| C28 | C31 | O24 | P6 | 82.6° | 121.5° |
| C28 | C31 | C26 | O22 | 54.2° | 55.3° |
| C28 | C31 | C26 | C25 | 176.0° | 176.9° |
| C31 | C28 | C27 | H35 | 68.2° | 86.4° |
| C27 | O22 | C26 | C29 | 77.6° | 65.4° |
| C27 | O22 | C26 | C31 | 28.2° | 37.2° |
| C27 | O22 | C26 | C25 | 155.7° | 165.2° |
| O22 | C27 | C28 | H36 | 167.3° | 158.1° |
| C50 | N9 | C51 | H61 | 180.0° | 179.8° |
| N9 | C50 | C49 | C48 | 0.1° | 0.0° |
| C50 | N9 | C51 | O34 | 179.8° | 180.0° |
| C50 | N9 | C51 | N8 | 0.1° | 0.4° |
| N9 | C50 | C49 | H60 | 179.9° | 180.0° |
| C49 | C50 | N9 | C51 | 0.2° | 0.2° |
| C50 | C49 | C48 | H60 | 180.0° | 180.0° |
| C50 | C49 | C48 | N8 | 0.2° | 0.0° |
| C50 | C49 | C48 | H59 | 179.8° | 179.7° |
| C49 | C50 | N9 | H61 | 179.8° | 180.0° |
| C30 | C29 | C26 | H37 | 125.8° | 122.0° |
| C30 | C29 | C26 | C31 | 77.8° | 86.8° |
| C30 | C29 | C26 | O22 | 175.5° | 168.3° |
| C30 | C29 | C26 | C25 | 52.5° | 39.1° |
| C29 | C30 | H39 | H40 | 120.0° | 120.0° |
| C29 | C30 | H39 | H38 | 120.0° | 120.0° |
| C29 | C30 | H40 | H38 | 120.0° | 120.0° |
| C29 | C26 | C31 | O24 | 174.6° | 167.1° |
| C29 | C26 | C31 | O22 | 109.5° | 106.4° |
| C29 | C26 | C31 | C25 | 128.7° | 125.8° |
| C29 | C26 | O22 | C25 | 126.8° | 129.3° |
| C29 | C26 | C25 | O21 | 110.5° | 56.1° |
| C29 | C26 | C25 | H34 | 10.0° | 63.9° |
| C29 | C26 | C25 | H33 | 129.1° | 176.0° |
| C26 | C29 | C30 | H39 | 65.1° | 60.0° |
| C26 | C29 | C30 | H40 | 174.9° | 180.0° |
| C26 | C29 | C30 | H38 | 55.0° | 60.0° |
| C29 | C26 | C31 | H41 | 58.0° | 65.0° |
| O24 | C31 | C26 | H41 | 127.4° | 127.9° |
| C31 | O24 | P6 | O25 | 69.5° | 55.0° |
| C31 | O24 | P6 | S6 | 161.7° | 65.0° |
| O24 | C31 | C26 | O22 | 65.1° | 60.7° |
| O24 | C31 | C26 | C25 | 56.7° | 67.1° |
| O24 | C31 | C28 | H36 | 66.6° | 60.4° |
| C26 | C31 | O24 | P6 | 175.9° | 134.8° |
| C31 | C26 | O22 | C25 | 127.5° | 128.1° |
| C31 | C26 | C25 | O21 | 128.1° | 172.5° |
| C31 | C26 | C25 | H34 | 111.4° | 52.5° |
| C31 | C26 | C25 | H33 | 7.7° | 67.5° |
| C26 | C31 | C28 | H36 | 179.4° | 176.4° |
| C31 | C26 | C29 | H37 | 156.5° | 151.2° |
| O25 | P6 | O24 | S6 | 128.8° | 120.0° |
| O25 | P6 | S6 | H3 | 0.0° | 180.0° |
| P6 | O24 | C31 | H41 | 49.4° | 6.6° |
| O24 | P6 | S6 | H3 | 124.3° | 60.0° |
| N9 | C51 | O34 | N8 | 179.8° | 179.6° |
| N9 | C51 | N8 | C48 | 0.4° | 0.4° |
| N9 | C51 | N8 | C21 | 179.6° | 179.5° |
| O22 | C26 | C25 | O21 | 10.3° | 66.9° |
| O22 | C26 | C25 | H34 | 130.8° | 173.1° |
| O22 | C26 | C25 | H33 | 110.1° | 53.0° |
| C26 | O22 | C27 | H35 | 103.1° | 122.3° |
| O22 | C26 | C29 | H37 | 49.8° | 46.3° |
| O22 | C26 | C31 | H41 | 167.5° | 171.3° |
| C26 | C25 | O21 | H34 | 120.5° | 120.1° |
| C26 | C25 | O21 | H33 | 120.4° | 120.0° |
| C26 | C25 | O21 | P5 | 165.0° | 180.0° |
| C26 | C25 | H34 | H33 | 118.6° | 120.1° |
| C25 | C26 | C29 | H37 | 73.2° | 82.9° |
| C25 | C26 | C31 | H41 | 70.7° | 60.8° |
| C49 | C48 | N8 | C51 | 0.4° | 0.2° |
| C49 | C48 | N8 | H59 | 180.0° | 179.7° |
| C49 | C48 | N8 | C21 | 179.5° | 179.7° |
| O34 | C51 | N8 | C48 | 179.5° | 180.0° |
| O34 | C51 | N8 | C21 | 0.6° | 0.1° |
| O34 | C51 | N9 | H61 | 0.2° | 0.2° |
| C51 | N8 | C48 | C21 | 179.9° | 179.9° |
| C51 | N8 | C21 | O17 | 26.2° | 111.7° |
| C51 | N8 | C21 | C22 | 140.3° | 133.0° |
| C51 | N8 | C21 | H27 | 95.1° | 10.7° |
| C51 | N8 | C48 | H59 | 179.5° | 179.9° |
| N8 | C51 | N9 | H61 | 179.9° | 179.7° |
| C48 | N8 | C21 | O17 | 153.7° | 68.3° |
| C48 | N8 | C21 | C22 | 39.6° | 47.1° |
| C48 | N8 | C21 | H27 | 84.9° | 169.3° |
| N8 | C48 | C49 | H60 | 179.8° | 180.0° |
| C25 | O21 | P5 | O20 | 27.1° | 55.0° |
| C25 | O21 | P5 | O19 | 90.3° | 175.0° |
| C25 | O21 | P5 | S5 | 154.5° | 65.0° |
| O21 | C25 | H34 | H33 | 118.6° | 119.9° |
| N8 | C21 | O17 | C22 | 124.8° | 118.7° |
| N8 | C21 | O17 | H27 | 120.6° | 122.4° |
| N8 | C21 | C22 | H27 | 124.8° | 122.3° |
| N8 | C21 | O17 | C20 | 90.7° | 78.3° |
| N8 | C21 | C22 | C24 | 66.7° | 94.9° |
| N8 | C21 | C22 | O18 | 57.4° | 23.8° |
| N8 | C21 | C22 | H28 | 178.2° | 146.4° |
| C21 | N8 | C48 | H59 | 0.5° | 0.0° |
| O21 | P5 | O19 | C24 | 20.6° | 175.0° |
| O21 | P5 | O20 | O19 | 117.6° | 120.0° |
| O21 | P5 | O20 | S5 | 121.9° | 120.0° |
| O21 | P5 | O19 | S5 | 116.3° | 120.0° |
| P5 | O21 | C25 | H34 | 74.6° | 60.0° |
| P5 | O21 | C25 | H33 | 44.5° | 60.0° |
| O21 | P5 | S5 | H2 | 121.5° | 60.0° |
| O17 | C21 | C22 | H27 | 115.9° | 118.9° |
| C21 | O17 | C20 | C24 | 1.6° | 40.5° |
| O17 | C21 | C22 | C24 | 52.6° | 23.9° |
| C21 | O17 | C20 | C19 | 126.0° | 159.4° |
| O17 | C21 | C22 | O18 | 176.7° | 142.6° |
| C21 | O17 | C20 | H26 | 114.6° | 78.4° |
| O17 | C21 | C22 | H28 | 58.8° | 94.8° |
| C22 | C21 | O17 | C20 | 34.0° | 40.4° |
| C21 | C22 | C24 | C20 | 50.2° | 0.0° |
| C21 | C22 | C24 | O18 | 125.9° | 118.7° |
| C21 | C22 | C24 | H28 | 111.4° | 118.6° |
| C21 | C22 | C24 | O19 | 172.3° | 118.6° |
| C21 | C22 | O18 | H28 | 123.8° | 122.6° |
| C21 | C22 | O18 | C23 | 69.4° | 89.1° |
| C21 | C22 | C24 | H32 | 64.2° | 118.6° |
| O17 | C20 | C24 | C19 | 120.0° | 118.9° |
| O17 | C20 | C24 | H26 | 117.0° | 118.9° |
| O17 | C20 | C24 | C22 | 31.4° | 24.0° |
| O17 | C20 | C24 | O19 | 150.8° | 94.7° |
| O17 | C20 | C19 | H26 | 119.8° | 122.2° |
| O17 | C20 | C19 | H24 | 180.0° | 57.1° |
| O17 | C20 | C19 | H1 | 60.0° | 63.0° |
| O17 | C20 | C19 | H25 | 60.0° | 177.0° |
| C20 | O17 | C21 | H27 | 148.7° | 159.4° |
| O17 | C20 | C24 | H32 | 82.9° | 142.5° |
| C20 | C24 | C22 | O19 | 122.1° | 118.7° |
| C20 | C24 | C22 | H32 | 114.3° | 118.6° |
| C20 | C24 | O19 | H32 | 125.5° | 122.7° |
| C24 | C20 | C19 | H26 | 122.8° | 122.3° |
| C20 | C24 | O19 | P5 | 93.1° | 121.5° |
| C20 | C24 | C22 | O18 | 176.0° | 118.7° |
| C24 | C20 | C19 | H24 | 62.6° | 58.4° |
| C24 | C20 | C19 | H1 | 57.4° | 178.5° |
| C24 | C20 | C19 | H25 | 177.4° | 61.5° |
| C20 | C24 | C22 | H28 | 61.2° | 118.7° |
| C22 | C24 | O19 | H32 | 122.7° | 122.6° |
| C22 | C24 | C20 | C19 | 88.6° | 142.8° |
| C22 | C24 | O19 | P5 | 155.1° | 123.9° |
| C24 | C22 | O18 | H28 | 122.0° | 122.7° |
| C24 | C22 | O18 | C23 | 176.4° | 156.2° |
| C22 | C24 | C20 | H26 | 148.4° | 95.0° |
| C24 | C22 | C21 | H27 | 168.5° | 142.8° |
| O19 | C24 | C20 | C19 | 30.8° | 24.2° |
| C24 | O19 | P5 | O20 | 96.0° | 55.0° |
| C24 | O19 | P5 | S5 | 137.0° | 65.0° |
| O19 | C24 | C22 | O18 | 61.8° | 122.7° |
| O19 | C24 | C20 | H26 | 92.2° | 146.4° |
| O19 | C24 | C22 | H28 | 60.9° | 0.0° |
| C20 | C19 | H24 | H1 | 120.0° | 120.0° |
| C20 | C19 | H24 | H25 | 120.0° | 120.0° |
| C20 | C19 | H1 | H25 | 120.0° | 120.0° |
| C19 | C20 | C24 | H32 | 157.0° | 98.6° |
| O20 | P5 | O19 | S5 | 127.0° | 120.0° |
| O20 | P5 | S5 | H2 | 0.0° | 180.0° |
| P5 | O19 | C24 | H32 | 32.3° | 1.2° |
| O19 | P5 | S5 | H2 | 121.7° | 60.0° |
| O18 | C22 | C21 | H27 | 67.4° | 98.5° |
| C22 | O18 | C23 | H30 | 180.0° | 175.2° |
| C22 | O18 | C23 | H31 | 60.0° | 55.1° |
| C22 | O18 | C23 | H29 | 60.0° | 64.8° |
| O18 | C22 | C24 | H32 | 61.7° | 0.1° |
| C23 | O18 | C22 | H28 | 54.4° | 33.5° |
| O18 | C23 | H30 | H31 | 120.0° | 120.0° |
| O18 | C23 | H30 | H29 | 120.0° | 119.9° |
| O18 | C23 | H31 | H29 | 120.0° | 120.0° |
| H24 | C19 | H1 | H25 | 120.0° | 120.0° |
| H24 | C19 | C20 | H26 | 60.2° | 179.3° |
| H1 | C19 | C20 | H26 | 179.7° | 59.3° |
| H25 | C19 | C20 | H26 | 59.8° | 60.7° |
| H26 | C20 | C24 | H32 | 34.0° | 23.6° |
| H27 | C21 | C22 | H28 | 57.1° | 24.1° |
| H28 | C22 | C24 | H32 | 175.5° | 122.7° |
| H30 | C23 | H31 | H29 | 120.0° | 120.0° |
| H35 | C27 | C28 | H36 | 52.1° | 38.9° |
| H36 | C28 | C31 | H41 | 66.2° | 67.5° |
| H37 | C29 | C30 | H39 | 60.6° | 62.0° |
| H37 | C29 | C30 | H40 | 59.4° | 58.0° |
| H37 | C29 | C30 | H38 | 179.4° | 178.0° |
| H39 | C30 | H40 | H38 | 120.0° | 120.0° |
| H44 | C34 | C35 | H45 | 91.0° | 82.9° |
| H45 | C35 | C38 | H50 | 72.9° | 67.9° |
| H46 | C36 | C37 | H47 | 60.4° | 62.0° |
| H46 | C36 | C37 | H48 | 59.6° | 58.0° |
| H46 | C36 | C37 | H49 | 179.6° | 178.0° |
| H47 | C37 | H48 | H49 | 120.0° | 120.0° |
| H50 | C38 | O29 | H51 | 51.4° | 66.7° |
| H56 | C44 | C45 | H57 | 0.7° | 0.0° |
| H59 | C48 | C49 | H60 | 0.2° | 0.3° |
